============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 10 1.000 31.424 -6.294 -0.070 -99.200 -91.000 PHE 18 1.000 26.434 -8.655 -3.122 -99.200 -91.000 TYR 45 0.840 35.793 -9.816 9.127 -99.200 -91.000 PHE 46 1.000 35.788 -8.249 2.106 -99.200 -91.000 TYR 48 0.840 31.003 -13.454 11.205 -99.200 -91.000 TYR 52 0.840 25.438 -15.648 10.569 -99.200 -91.000 HIS 56 0.900 19.531 -3.506 8.158 -99.200 -91.000 PHE 59 1.000 22.942 -11.621 1.070 -99.200 -91.000 TYR 61 0.840 19.654 -13.732 -3.154 -99.200 -91.000 HIS 83 0.900 24.566 -14.687 -10.209 -99.200 -91.000 TRP 99 1.040 37.173 0.616 -11.682 -99.200 -91.000 TRP6 99 1.020 35.902 -0.837 -10.328 -99.200 -91.000 TYR 106 0.840 26.075 2.024 -15.408 -99.200 -91.000 PHE 114 1.000 39.498 7.309 -3.211 -99.200 -91.000 HIS 123 0.900 36.437 4.524 -8.642 -99.200 -91.000 HIS 150 0.900 14.489 9.558 -10.755 -99.200 -91.000 HIS 151 0.900 12.988 10.273 -14.998 -99.200 -91.000 TYR 153 0.840 22.560 9.901 -15.957 -99.200 -91.000 HIS 158 0.900 24.306 15.595 -14.925 -99.200 -91.000 HIS 159 0.900 30.827 12.349 -18.161 -99.200 -91.000 HIS 176 0.900 9.432 16.132 -6.078 -99.200 -91.000 PHE 183 1.000 0.201 21.188 0.552 -99.200 -91.000 HIS 194 0.900 21.390 9.317 11.479 -99.200 -91.000 TYR 196 0.840 24.316 3.015 18.468 -99.200 -91.000 TRP 211 1.040 36.435 19.639 20.588 -99.200 -91.000 TRP6 211 1.020 37.083 21.253 22.180 -99.200 -91.000 PHE 248 1.000 18.852 17.583 19.496 -99.200 -91.000 PHE 262 1.000 5.598 23.030 5.867 -99.200 -91.000 TYR 284 0.840 3.716 13.330 -6.864 -99.200 -91.000 TYR 291 0.840 -0.280 6.457 3.851 -99.200 -91.000 PHE 301 1.000 8.583 3.516 10.589 -99.200 -91.000 TYR 310 0.840 2.623 12.178 6.637 -99.200 -91.000 PHE 326 1.000 5.731 27.280 13.497 -99.200 -91.000 PHE 327 1.000 0.465 23.782 8.475 -99.200 -91.000 TRP 332 1.040 8.724 7.088 11.959 -99.200 -91.000 TRP6 332 1.020 10.015 6.753 13.919 -99.200 -91.000 TYR 333 0.840 16.449 9.149 7.951 -99.200 -91.000 TRP 337 1.040 16.900 -2.738 3.573 -99.200 -91.000 TRP6 337 1.020 18.930 -3.941 3.685 -99.200 -91.000 TYR 339 0.840 22.507 6.740 0.620 -99.200 -91.000 HIS 341 0.900 16.363 -1.981 -1.077 -99.200 -91.000 HIS 349 0.900 17.608 7.983 -14.112 -99.200 -91.000